| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:34 UTC |
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| Update Date | 2025-03-25 01:00:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246143 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H42O12 |
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| Molecular Mass | 546.2676 |
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| SMILES | CC12CC(O)C3C4CCC(OC5OC(C(=O)O)C(O)C(O)C5O)CC4CC(O)C3C1CCC2(O)C(O)CO |
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| InChI Key | PBZIKVJDKQRKJW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | steroids and steroid derivatives |
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| Subclass | steroidal glycosides |
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| Direct Parent | steroid glucuronide conjugates |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 11-hydroxysteroids17-hydroxysteroids21-hydroxysteroids7-hydroxysteroidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespregnane steroidsprimary alcoholspyran carboxylic acidssecondary alcoholstertiary alcohols |
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| Substituents | 20-hydroxysteroidcarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetal21-hydroxysteroidoxaneprimary alcoholorganoheterocyclic compound17-hydroxysteroidalcoholpyran carboxylic acid or derivativeshydroxysteroidhydroxy acidcyclic alcohol7-hydroxysteroidoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivative11-hydroxysteroidpregnane-skeletonorganooxygen compound |
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